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Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a ... the template(s) are chosen out of the conformational pool. Interestingly, conformational flexibility may also be taken into account for templates. 4. Finally, an SDF database constituted by the dataset compounds aligned to each of the templates is ...

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a ... the template(s) are chosen out of the conformational pool. Interestingly, conformational flexibility may also be taken into account for templates. 4. Finally, an SDF database constituted by the dataset compounds aligned to each of the templates is ...

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